[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Formula:C20H13N3O3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate |
| MolecularFormula | C20H13N3O3Br2 |
| Smiles | O=C(c1cncc(Br)c1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O |
| InChI | InChI=1S/C20H13Br2N3O3/c21-15-9-14(11-23-12-15)19(26)25-24-10-13-5-7-16(8-6-13)28-20(27)17-3-1-2-4-18(17)22/h1-12H,(H,25,26) |
| InChIK | ZYEAFBMGNIKBDK-UHFFFAOYSA-N |
| TotalMolweight | 503.149 |
| Molweight | 503.149 |
| MonoisotopicMass | 500.932364 |
| CLogP | 5.0816 |
| CLogS | -6.064 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 310.52 |
| Relative PSA | 0.22549 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 2.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off